1,2-difluoro-1,2,3,4-tetrahydrochrysene

C18H14F2 — CID 174852608

IUPAC1,2-difluoro-1,2,3,4-tetrahydrochrysene
SMILESFC1CCc2c(ccc3c2ccc2ccccc23)C1F
InChIInChI=1S/C18H14F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-8,17-18H,9-10H2
InChIKeyKAHSVUDUQZDCEL-UHFFFAOYSA-N
MW268.31 g/mol
LogP5.29
Rot. Bonds

About 1,2-difluoro-1,2,3,4-tetrahydrochrysene

1,2-difluoro-1,2,3,4-tetrahydrochrysene (PubChem CID 174852608) has the molecular formula C18H14F2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1,2-difluoro-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name1,2-difluoro-1,2,3,4-tetrahydrochrysene
PubChem CID174852608
Molecular FormulaC18H14F2
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1,2-difluoro-1,2,3,4-tetrahydrochrysene
SMILESFC1CCc2c(ccc3c2ccc2ccccc23)C1F
InChIInChI=1S/C18H14F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-8,17-18H,9-10H2
InChIKeyKAHSVUDUQZDCEL-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.31
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

naphthalene;6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
CID 174496673
1,2-dibromo-1,2,3,4-tetrahydrochrysene;ethene
CID 174521774
6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol
CID 174464943
1-(bromomethyl)-1,2,3,4-tetrahydrochrysene
CID 174632843
azane;1,2,3,4-tetrahydrochrysen-1-amine;hydrate
CID 174715110
3-(1,2,3,4-tetrahydrochrysen-1-yl)propan-1-ol
CID 174262424
4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
CID 174447083
2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174535991
2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
CID 174587497
pentacyclo[8.8.0.02,7.03,6.011,16]octadeca-1(10),2(7),8,11,13,15,17-heptaene
CID 174715167
1-[2-bromo-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174834129
chrysene;iron
CID 157379031

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 1,2-difluoro-1,2,3,4-tetrahydrochrysene (CID 174852608) is 1,2-difluoro-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 1,2-difluoro-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 1,2-difluoro-1,2,3,4-tetrahydrochrysene is FC1CCc2c(ccc3c2ccc2ccccc23)C1F.
What is the InChIKey of 1,2-difluoro-1,2,3,4-tetrahydrochrysene?
The InChIKey is KAHSVUDUQZDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-8,17-18H,9-10H2.
What are the key properties of 1,2-difluoro-1,2,3,4-tetrahydrochrysene?
1,2-difluoro-1,2,3,4-tetrahydrochrysene has a molecular weight of 268.31 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174852608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).